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Information card for entry 7014897
Preview
| Coordinates | 7014897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,2,6,6-Tetramethylpiperidinium phenethylbis(pentafluorophenyl)hydridoborate |
|---|---|
| Chemical name | 2,2,6,6-Tetramethylpiperidinium phenethylbis(pentafluorophenyl)hydridoborate |
| Formula | C29 H30 B F10 N |
| Calculated formula | C29 H30 B F10 N |
| SMILES | c1(c(c(c(c(c1F)F)F)F)F)[BH](c1c(c(c(c(c1F)F)F)F)F)CCc1ccccc1.C1(CCCC(C)(C)[NH2+]1)(C)C |
| Title of publication | Reversible, metal-free hydrogen activation by frustrated Lewis pairs. |
| Authors of publication | Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 5 |
| Pages of publication | 1091 - 1097 |
| a | 9.4346 ± 0.0002 Å |
| b | 11.4068 ± 0.0003 Å |
| c | 14.4546 ± 0.0003 Å |
| α | 74.034 ± 0.002° |
| β | 87.133 ± 0.002° |
| γ | 68.809 ± 0.002° |
| Cell volume | 1392.33 ± 0.06 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.172 |
| Weighted residual factors for all reflections included in the refinement | 0.1814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179852 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/48. |
7014897.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014897.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014897.cif |
| 14878 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014896, 7014897 via cif-deposit CGI script. |
7014897.cif |
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